N-[4-(2-methyl-2-sulfanyl-propanoyl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

Systemtic Name: N-[4-(2-methyl-2-sulfanyl-propanoyl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Openeye Name: N-[4-(2-methyl-2-sulfanyl-propanoyl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide CAS Name: N-[4-(2-mercapto-2-methyl-1-oxopropyl)phenyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide IUPAC Name: N-[4-(2-methyl-2-sulfanylpropanoyl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Traditional Name: N-[4-(2-mercapto-2-methyl-propanoyl)phenyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide Formula: C18H19NO5S2 MolecularWeight: 393.47716

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)OCCO3)S

Isomeric SMILES

CC(C)(C(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)OCCO3)S

InChI

InChI=1S/C18H19NO5S2/c1-18(2,25)17(20)12-3-5-13(6-4-12)19-26(21,22)14-7-8-15-16(11-14)24-10-9-23-15/h3-8,11,19,25H,9-10H2,1-2H3